COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL022729
Chemical Name: 2-[(5E)-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoicacid
Smiles: CSCCC(N1C(=S)S/C(=C/c2ccc(o2)c2ccc(c(c2)[N+](=O)[O-])C)/C1=O)C(=O)O

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Molecular Weight: 478.57
Empirical Formula: C20H18N2O6S3

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 4.474
Rotatable bonds: 8
H-donors: 1
H-acceptors: 6
PSA: 199
Number of rings: 3

     

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